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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Bi2(NCl3)3 by Materials Project

(N2)3(Bi2Cl9)2 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of six ammonia molecules and two Bi2Cl9 clusters. In each Bi2Cl9 cluster, Bi5+ is bonded to six Cl1- atoms to form face-sharing BiCl6 octahedra. There are three shorter (2.46 Å) and three longer (2.75 Å) Bi–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Bi5+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Bi5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaUF6 by Materials Project

CaUF6 is Sodium arsenide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ca2+ is bonded to eleven F1- atoms to form distorted face-sharing CaF11 trigonal bipyramids. There are a spread of Ca–F bond distances ranging from 2.35–2.76 Å. U4+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of U–F bond distances ranging from 2.14–2.65 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ca2+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent U4+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one Ca2+ and three equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Ca2+ and one U4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Cu6GeSb by Materials Project

Cu6GeSb is Sodium arsenide-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted trigonal planar geometry to six equivalent Cu and three equivalent Ge atoms. All Cu–Cu bond lengths are 2.73 Å. All Cu–Ge bond lengths are 2.45 Å. In the second Cu site, Cu is bonded in a distorted trigonal planar geometry to six equivalent Cu and three equivalent Sb atoms. All Cu–Cu bond lengths are 2.80 Å. All Cu–Sb bond lengths are 2.45 Å. In the third Cu site, Cu is bonded in a 1-coordinate geometry to seven Cu, one Ge, and three equivalent Sb atoms. There are one shorter (2.68 Å) and three longer (2.75 Å) Cu–Cu bond lengths. The Cu–Ge bond length is 2.45 Å. All Cu–Sb bond lengths are 2.80 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to seven Cu, three equivalent Ge, and one Sb atom. The Cu–Cu bond length is 2.40 Å. All Cu–Ge bond lengths are 2.73 Å. The Cu–Sb bond length is 2.59 Å. Ge is bonded in a 5-coordinate geometry to eleven Cu atoms. Sb is bonded in a 5-coordinate geometry to eleven Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBi3 by Materials Project

RbBi3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded in a 11-coordinate geometry to eleven Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.36–3.71 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 1-coordinate geometry to four equivalent Rb and one Bi atom. The Bi–Bi bond length is 3.16 Å. In the second Bi site, Bi is bonded in a trigonal planar geometry to three equivalent Rb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Pd by Materials Project

Mg3Pd is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Pd atoms. All Mg–Pd bond lengths are 2.70 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Pd atoms. There are one shorter (2.72 Å) and three longer (3.07 Å) Mg–Pd bond lengths. Pd is bonded in a 5-coordinate geometry to eleven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2CuAs3 by Materials Project

(ErAs)2CuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic molecule, one copper molecule, and two erbium arsenide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2As3Au by Materials Project

(PrAs)2AuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic molecule, one gold molecule, and two praseodymium arsenide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbH3 by Materials Project

TbH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Tb–H bond distances ranging from 2.14–2.38 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Tb3+ atoms. In the second H1- site, H1- is bonded to four equivalent Tb3+ atoms to form a mixture of edge, face, and corner-sharing HTb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaCeF6 by Materials Project

CeLaF6 is Sodium arsenide-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Ce–F bond distances ranging from 2.40–2.80 Å. La3+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of La–F bond distances ranging from 2.40–2.79 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent La3+ atoms. In the second F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Ce3+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one La3+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one Ce3+ and three equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbSb3 by Materials Project

RbSb3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven Sb+0.33- atoms. There are a spread of Rb–Sb bond distances ranging from 3.30–3.61 Å. There are two inequivalent Sb+0.33- sites. In the first Sb+0.33- site, Sb+0.33- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Sb+0.33- atom. The Sb–Sb bond length is 2.91 Å. In the second Sb+0.33- site, Sb+0.33- is bonded in a trigonal planar geometry to three equivalent Rb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2AgAs3 by Materials Project

(LaAs)2AgAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic molecule, two lanthanum arsenide molecules, and one silver molecule.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on Lu2CuAs3 by Materials Project

(LuAs)2CuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic molecule, one copper molecule, and two lutetium arsenide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSb3 by Materials Project

KSb3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to eleven Sb+0.33- atoms. There are a spread of K–Sb bond distances ranging from 3.19–3.52 Å. There are two inequivalent Sb+0.33- sites. In the first Sb+0.33- site, Sb+0.33- is bonded in a 1-coordinate geometry to four equivalent K1+ and one Sb+0.33- atom. The Sb–Sb bond length is 2.97 Å. In the second Sb+0.33- site, Sb+0.33- is bonded in a trigonal planar geometry to three equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Au by Materials Project

Mg3Au is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Au atoms. All Mg–Au bond lengths are 2.72 Å. In the second Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Au atoms. There are one shorter (2.81 Å) and three longer (3.09 Å) Mg–Au bond lengths. Au is bonded in a 5-coordinate geometry to eleven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpH3 by Materials Project

NpH3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Np–H bond distances ranging from 2.14–2.38 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Np3+ atoms. In the second H1- site, H1- is bonded to four equivalent Np3+ atoms to form a mixture of corner, edge, and face-sharing HNp4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgHg3 by Materials Project

MgHg3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eleven Hg atoms to form a mixture of distorted edge and face-sharing MgHg11 trigonal bipyramids. There are a spread of Mg–Hg bond distances ranging from 2.93–3.34 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a distorted single-bond geometry to four equivalent Mg atoms. In the second Hg site, Hg is bonded in a trigonal planar geometry to three equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2As3Au by Materials Project

(AsSm)2AuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic molecule, one gold molecule, and two samarium arsenide molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2CuAs3 by Materials Project

(PrAs)2CuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one arsenic compounds molecule, one cuprum molecule, and two praseodymium arsenide molecules.

36 MATERIALS SCIENCE↗